N-methyl-1-(3-methyltriazol-4-yl)ethanamine

C6H12N4 — CID 114687181

IUPACN-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(C)c1cnnn1C
InChIInChI=1S/C6H12N4/c1-5(7-2)6-4-8-9-10(6)3/h4-5,7H,1-3H3
InChIKeyXPEAVUMIXKDGLE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.10
Rot. Bonds2

About N-methyl-1-(3-methyltriazol-4-yl)ethanamine

N-methyl-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 114687181) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID114687181
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(C)c1cnnn1C
InChIInChI=1S/C6H12N4/c1-5(7-2)6-4-8-9-10(6)3/h4-5,7H,1-3H3
InChIKeyXPEAVUMIXKDGLE-UHFFFAOYSA-N
XLogP0.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043420
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
CID 114691476
1-[3-(4-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167372
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
CID 117167122
N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
CID 114687623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)ethanamine (CID 114687181) is N-methyl-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)ethanamine is CNC(C)c1cnnn1C.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is XPEAVUMIXKDGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(7-2)6-4-8-9-10(6)3/h4-5,7H,1-3H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
N-methyl-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).